Chlorine in PDB 8v5b: Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn

The structure of Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn, PDB code: 8v5b was solved by A.V.Sharrock, D.F.Ackerley, V.Arcus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.79 / 1.98
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.22, 95.59, 112.31, 90, 90, 90
R / Rfree (%)	17.1 / 21.9

The binding sites of Chlorine atom in the Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn (pdb code 8v5b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn, PDB code: 8v5b:

Chlorine binding site 1 out of 1 in the Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Oxygen-Insensitive Nad(P)H-Dependent Nitroreductase NFSB_EC F70A/F108Y in Complex with Fmn within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl304 b:63.7 occ:1.00 O D:HOH545 2.7 22.0 1.0 O D:HOH417 2.8 19.7 1.0 O D:HOH482 3.0 9.6 1.0 OD1 D:ASP160 3.0 14.7 1.0 O D:HOH412 3.1 33.4 1.0 N D:HIS11 3.2 10.5 1.0 CA D:ARG10 3.3 11.3 1.0 O D:HOH491 3.4 57.4 1.0 ND1 D:HIS11 3.5 11.3 1.0 C D:ARG10 3.7 11.4 1.0 O D:HOH413 3.7 28.8 1.0 CB D:ARG10 3.8 11.1 1.0 O D:HIS11 3.8 8.8 1.0 CE1 D:HIS11 4.0 11.7 1.0 CG D:ASP160 4.2 15.3 1.0 O D:LYS9 4.3 13.6 1.0 O D:LEU159 4.3 12.3 1.0 CA D:HIS11 4.4 10.1 1.0 CA D:ASP160 4.4 11.7 1.0 N D:ARG10 4.4 11.8 1.0 CG D:HIS11 4.5 10.5 1.0 C D:HIS11 4.6 9.3 1.0 C D:LYS9 4.8 12.4 1.0 CB D:ASP160 4.8 12.5 1.0 CB D:HIS11 4.8 10.2 1.0 O D:ARG10 4.9 11.8 1.0 O D:HOH511 5.0 8.5 1.0

A.V.Sharrock, J.S.Mumm, E.M.Williams, N.Cenas, J.B.Smaill, A.V.Patterson, D.F.Ackerley, G.Bagdziunas, V.L.Arcus. Structural Evaluation of A Nitroreductase Engineered For Improved Activation of the 5-Nitroimidazole Pet Probe SN33623. Int J Mol Sci V. 25 2024.
ISSN: ESSN 1422-0067
PubMed: 38928299
DOI: 10.3390/IJMS25126593